Mon May 13 13:54:49.199 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:54:49.209 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_A01\1\pdata\1
Mon May 13 13:54:49.229 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:54:49.239 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:54:49.249 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:54:49.269 CEST 2019: No HSQC data available
Mon May 13 13:54:49.289 CEST 2019: No C13 data available
Mon May 13 13:54:49.309 CEST 2019: No HMBC data available
Mon May 13 13:54:49.319 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:54:49.549 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.22 s.
Mon May 13 13:54:49.819 CEST 2019: Structure is used: true
Mon May 13 13:54:49.829 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_A01/1/0110706047.mol
Mon May 13 13:54:49.839 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.28 s.
Mon May 13 13:54:49.849 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:54:49.859 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:54:49.869 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:54:49.879 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:54:49.889 CEST 2019: Spectrum is suppressed.
Mon May 13 13:54:49.889 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:54:49.899 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:54:49.909 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:54:49.919 CEST 2019: Expected impurity: TSP
Mon May 13 13:54:49.929 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:54:49.939 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp1, protonShiftLimitAPpm=2.4, protonShiftLimitBPpm=2.5, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon May 13 13:54:49.949 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp2, protonShiftLimitAPpm=2.7, protonShiftLimitBPpm=2.76, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon May 13 13:54:49.959 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:54:49.969 CEST 2019: RMSD noise: 695.238 (-0.203/-0.703)
Mon May 13 13:54:49.969 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:54:49.989 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:54:49.999 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:54:50.039 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 13:54:50.169 CEST 2019: Number of Peaks: (31, 2)
Mon May 13 13:54:50.179 CEST 2019: Elapsed time for evaluation (PP Suite): 0.13 s.
Mon May 13 13:54:50.189 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:54:50.199 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:54:50.199 CEST 2019: Signal-to-Noise ratio: 461.94 (8.219 ppm)
Mon May 13 13:54:50.209 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:54:50.219 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:54:50.229 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.39 s.
Mon May 13 13:54:50.274 CEST 2019: Number of Multiplets: 60
Mon May 13 13:54:50.299 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon May 13 13:54:50.359 CEST 2019: Number of Peak Cluster: 10
Mon May 13 13:54:50.359 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon May 13 13:54:50.449 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.08 s.
Mon May 13 13:54:50.739 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.28 s.
Mon May 13 13:54:50.749 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:54:50.759 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:54:50.769 CEST 2019: Number of consistent PNS: 0
Mon May 13 13:54:50.786 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:54:50.799 CEST 2019: Number of consistent PNS: 20
Mon May 13 13:54:50.809 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 13:54:50.819 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 13:54:50.829 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:54:51.124 CEST 2019: Elapsed time for evaluation (BU Suite): 0.33 s.
Mon May 13 13:54:51.139 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 13:54:51.149 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 13:54:51.799 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.67 s.
Mon May 13 13:54:51.799 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:54:51.979 CEST 2019: CMC-q finished in 2.78 s.
